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The complexation of alkali metal ions and the proton X +  (X=H, Li, Na, K, Rb, Cs) by  β -alanyl-L-histidine (carnosine, Car) was investigated by electrospray ionization mass spectrometry (ESI-MS) and MS/MS fragmentation studies. Collision-induced dissociation (CID) breakdown curves were recorded and the resulting apparent activation energies were compared to DFT calculations of binding energies at the B3LYP/cc-pVDZ level of theory. Additionally, the influence of metal complexation on hydrogen/deuterium exchange of CarX +  with D 2 O was tested. Our investigations characterize the structures of Car-alkali complexes and elucidate the interaction with the differently sized solvated metal cations.

The Interaction of the Dipeptide Carnosine With Alkali Metal Ions Studied by Ion Trap Mass Spectrometry